1-[2-(tert-butylamino)-2-oxoethyl]-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide

C20H34N4O2S — CID 170152829

IUPAC1-[2-(tert-butylamino)-2-oxoethyl]-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide
SMILESCc1nc(C(C)C)sc1CNC(=O)C1CCN(CC(=O)NC(C)(C)C)CC1
InChIInChI=1S/C20H34N4O2S/c1-13(2)19-22-14(3)16(27-19)11-21-18(26)15-7-9-24(10-8-15)12-17(25)23-20(4,5)6/h13,15H,7-12H2,1-6H3,(H,21,26)(H,23,25)
InChIKeyUGKNQCADPLAFRP-UHFFFAOYSA-N
MW394.59 g/mol
LogP2.82
Rot. Bonds6

About 1-[2-(tert-butylamino)-2-oxoethyl]-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide

1-[2-(tert-butylamino)-2-oxoethyl]-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide (PubChem CID 170152829) has the molecular formula C20H34N4O2S and a molecular weight of 394.59 g/mol. Its IUPAC name is 1-[2-(tert-butylamino)-2-oxoethyl]-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(tert-butylamino)-2-oxoethyl]-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide
PubChem CID170152829
Molecular FormulaC20H34N4O2S
Molecular Weight394.59 g/mol
Exact Mass394.24
IUPAC Name1-[2-(tert-butylamino)-2-oxoethyl]-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide
SMILESCc1nc(C(C)C)sc1CNC(=O)C1CCN(CC(=O)NC(C)(C)C)CC1
InChIInChI=1S/C20H34N4O2S/c1-13(2)19-22-14(3)16(27-19)11-21-18(26)15-7-9-24(10-8-15)12-17(25)23-20(4,5)6/h13,15H,7-12H2,1-6H3,(H,21,26)(H,23,25)
InChIKeyUGKNQCADPLAFRP-UHFFFAOYSA-N
XLogP2.82
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.59
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(tert-butylamino)-2-oxoethyl]-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(tert-butylamino)-2-oxoethyl]-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide (CID 170152829) is 1-[2-(tert-butylamino)-2-oxoethyl]-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(tert-butylamino)-2-oxoethyl]-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(tert-butylamino)-2-oxoethyl]-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide is Cc1nc(C(C)C)sc1CNC(=O)C1CCN(CC(=O)NC(C)(C)C)CC1.
What is the InChIKey of 1-[2-(tert-butylamino)-2-oxoethyl]-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide?
The InChIKey is UGKNQCADPLAFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O2S/c1-13(2)19-22-14(3)16(27-19)11-21-18(26)15-7-9-24(10-8-15)12-17(25)23-20(4,5)6/h13,15H,7-12H2,1-6H3,(H,21,26)(H,23,25).
What are the key properties of 1-[2-(tert-butylamino)-2-oxoethyl]-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide?
1-[2-(tert-butylamino)-2-oxoethyl]-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide has a molecular weight of 394.59 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(tert-butylamino)-2-oxoethyl]-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 170152829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).